(6S)-N,6-dimethyloxan-3-amine

C7H15NO — CID 129044503

IUPAC(6S)-N,6-dimethyloxan-3-amine
SMILESCNC1CC[C@H](C)OC1
InChIInChI=1S/C7H15NO/c1-6-3-4-7(8-2)5-9-6/h6-8H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyNLMURLNJWVQQCJ-PKPIPKONSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds1

About (6S)-N,6-dimethyloxan-3-amine

(6S)-N,6-dimethyloxan-3-amine (PubChem CID 129044503) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (6S)-N,6-dimethyloxan-3-amine.

Molecular Properties

Compound Name(6S)-N,6-dimethyloxan-3-amine
PubChem CID129044503
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(6S)-N,6-dimethyloxan-3-amine
SMILESCNC1CC[C@H](C)OC1
InChIInChI=1S/C7H15NO/c1-6-3-4-7(8-2)5-9-6/h6-8H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyNLMURLNJWVQQCJ-PKPIPKONSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-N,6-dimethyloxan-3-amine?
The IUPAC name of (6S)-N,6-dimethyloxan-3-amine (CID 129044503) is (6S)-N,6-dimethyloxan-3-amine.
What is the SMILES notation for (6S)-N,6-dimethyloxan-3-amine?
The canonical SMILES for (6S)-N,6-dimethyloxan-3-amine is CNC1CC[C@H](C)OC1.
What is the InChIKey of (6S)-N,6-dimethyloxan-3-amine?
The InChIKey is NLMURLNJWVQQCJ-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-3-4-7(8-2)5-9-6/h6-8H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (6S)-N,6-dimethyloxan-3-amine?
(6S)-N,6-dimethyloxan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,6-dimethyloxan-3-amine is sourced from PubChem (CID 129044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).